3BC5
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-03-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 66.300, 66.300, 156.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.270 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24900 |
Structure solution method | MR |
RMSD bond length | 0.012 |
RMSD bond angle | 1.528 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.059 | 0.334 |
Number of reflections | 16428 | |
<I/σ(I)> | 58.8 | 7.4 |
Completeness [%] | 95.9 | 94.1 |
Redundancy | 13.8 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 2.4M Na-Formate, 0.3M ammonium acetate, pH 7.5, vapor diffusion, hanging drop, temperature 294K |